N-ethyl-2-methyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-N-phenyl-benzenesulfonamide

Systemtic Name: N-ethyl-2-methyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-N-phenyl-benzenesulfonamide Openeye Name: N-ethyl-2-methyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-phenyl-benzenesulfonamide CAS Name: N-ethyl-2-methyl-5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-ethyl-2-methyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-phenylbenzenesulfonamide Traditional Name: N-ethyl-2-methyl-5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-N-phenyl-benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC[NH+](CC3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC[NH+](CC3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-4-25(20-9-6-5-7-10-20)29(27,28)21-17-19(12-11-18(21)2)22(26)24-14-8-13-23(3)15-16-24/h5-7,9-12,17H,4,8,13-16H2,1-3H3/p+1